SCHEMBL8608253

SCHEMBL8608253

CC(CN)NC(=O)c1cccc(C(C)(C)C)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PDCD1LG2 Q9BQ51 2/20 0.42
CD274 Q9NZQ7 2/20 0.42
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
CTSS P25774 5/20 0.40
ALOX5 P09917 3/20 0.40
CTSK P43235 2/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
POLB P06746 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8609754 0.81 NR5A2 (0.55) PDCD1LG2CD274ALOX5
SCHEMBL8608134 0.81 SMN1; SMN2 (0.45) CA2MEN1KMT2APDCD1LG2CD274
SCHEMBL8607704 0.80 CA2 (0.41) CA2MEN1KMT2AGABRA1GABRB2
SCHEMBL1823896 0.77 KDM4E (0.59) MEN1KMT2AALOX5RAB9APOLB
SCHEMBL8608258 0.77 CA2 (0.44) CA2KMT2APDCD1LG2CD274GABRA1
SCHEMBL8608124 0.77 LMNA (0.45) CA2MEN1KMT2AALOX5NPSR1
SCHEMBL8606479 0.77 CA2 (0.47) CA2MEN1KMT2APDCD1LG2CD274
SCHEMBL8605765 0.76 GAA (0.35) CA2MEN1KMT2APDCD1LG2CD274
Bromide SCHEMBL6847028 0.75 CA2 (0.53) CA2GABRA1GABRB2ALOX5NPSR1
SCHEMBL8608260 0.74 ALOX5 (0.51) CA2ALOX5NPSR1HPGDHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5847187-A Organic phosphorous compound, a process for producing the same and a use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-12-08 US disclosed